4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine

C16H33NO — CID 64719133

IUPAC4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)OC1CCCC(CC)C1
InChIInChI=1S/C16H33NO/c1-5-10-17-13(3)11-14(4)18-16-9-7-8-15(6-2)12-16/h13-17H,5-12H2,1-4H3
InChIKeyVDVXWOQTDLUOSZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds8

About 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine

4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine (PubChem CID 64719133) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine
PubChem CID64719133
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)OC1CCCC(CC)C1
InChIInChI=1S/C16H33NO/c1-5-10-17-13(3)11-14(4)18-16-9-7-8-15(6-2)12-16/h13-17H,5-12H2,1-4H3
InChIKeyVDVXWOQTDLUOSZ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine?
The IUPAC name of 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine (CID 64719133) is 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine is CCCNC(C)CC(C)OC1CCCC(CC)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine?
The InChIKey is VDVXWOQTDLUOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-10-17-13(3)11-14(4)18-16-9-7-8-15(6-2)12-16/h13-17H,5-12H2,1-4H3.
What are the key properties of 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine?
4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine is sourced from PubChem (CID 64719133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).